CID 219769

5334-59-8

Structural Information

Molecular Formula
C11H6Cl2N4
SMILES
C1=CC(=CC=C1N2C3=C(C=N2)C(=NC=N3)Cl)Cl
InChI
InChI=1S/C11H6Cl2N4/c12-7-1-3-8(4-2-7)17-11-9(5-16-17)10(13)14-6-15-11/h1-6H
InChIKey
PVDCVYNCXXQMPX-UHFFFAOYSA-N
Compound name
4-chloro-1-(4-chlorophenyl)pyrazolo[5,4-d]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

6
Patents

263.99695 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.004226 152.7
[M+Na]+ 286.986168 166.6
[M-H]- 262.989674 154.9
[M+NH4]+ 282.030773 168.1
[M+K]+ 302.960108 159.3
[M+H-H2O]+ 246.994210 143.0
[M+HCOO]- 308.995151 164.3
[M+CH3COO]- 323.010801 165.1
[M+Na-2H]- 284.971616 159.5
[M]+ 263.99640142 157.5
[M]- 263.99749858 157.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe